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Summary Geometry Related PDB entries

05D

Summary

Name:	N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
Formula:	C17 H23 N5 O
Formal charge:	0
Formula weight:	313.397 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
OpenEye OEToolkits	2.0.7	~{N},~{N}-dimethyl-1-[4-(4-methylpyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1
InChI	InChI	1.03	InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3
InChIKey	InChI	1.03	MYSVNUHQXQZBQE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)C1CCN(CC1)c2cnccc2n3cc(C)cn3
SMILES	CACTVS	3.385	CN(C)C(=O)C1CCN(CC1)c2cnccc2n3cc(C)cn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C

222415

PDB entries from 2024-07-10

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